2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol

C12H11N3O2 — CID 177490373

IUPAC2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol
SMILESCc1c(O)ccc(/N=N/c2cccnc2)c1O
InChIInChI=1S/C12H11N3O2/c1-8-11(16)5-4-10(12(8)17)15-14-9-3-2-6-13-7-9/h2-7,16-17H,1H3/b15-14+
InChIKeyVDVFFCGIBJKTRZ-CCEZHUSRSA-N
MW229.24 g/mol
LogP3.22
Rot. Bonds2

About 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol

2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol (PubChem CID 177490373) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol
PubChem CID177490373
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol
SMILESCc1c(O)ccc(/N=N/c2cccnc2)c1O
InChIInChI=1S/C12H11N3O2/c1-8-11(16)5-4-10(12(8)17)15-14-9-3-2-6-13-7-9/h2-7,16-17H,1H3/b15-14+
InChIKeyVDVFFCGIBJKTRZ-CCEZHUSRSA-N
XLogP3.22
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-phenyldiazenylbenzene-1,3-diol
CID 151351632
4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 611991
N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine
CID 88874820
butanedioic acid;dipyridin-3-yldiazene
CID 139196676
2-(pyridin-3-yldiazenyl)benzaldehyde
CID 87139690
3-methyl-2,4-bis(phenyldiazenyl)phenol
CID 165356991
8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol
CID 136661697
bis(4-pyridin-3-ylphenyl)diazene
CID 101443558
(4-methyl-3-pyridinyl)-phenyldiazene
CID 121008479
[methyl-(pyridin-3-yldiazenyl)amino]methanol
CID 13099386
2,6-dimethyl-3-phenyldiazenylphenol
CID 90731242
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol?
The IUPAC name of 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol (CID 177490373) is 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol.
What is the SMILES notation for 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol?
The canonical SMILES for 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol is Cc1c(O)ccc(/N=N/c2cccnc2)c1O.
What is the InChIKey of 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol?
The InChIKey is VDVFFCGIBJKTRZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8-11(16)5-4-10(12(8)17)15-14-9-3-2-6-13-7-9/h2-7,16-17H,1H3/b15-14+.
What are the key properties of 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol?
2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol has a molecular weight of 229.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol is sourced from PubChem (CID 177490373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).